smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN2CCC([C@H](Cc3ccccc3)[N@H+](C)Cc3cccnc3)CC2)cc1O ZINC000012155502 524024634 /nfs/dbraw/zinc/02/46/34/524024634.db2.gz QUXKBBLLIDBBML-SANMLTNESA-N 1 3 445.607 4.751 50 0 IJAAHO COc1ccc(CN2CCC([C@H](Cc3ccccc3)[N@@H+](C)Cc3cccnc3)CC2)cc1O ZINC000012155502 524024635 /nfs/dbraw/zinc/02/46/35/524024635.db2.gz QUXKBBLLIDBBML-SANMLTNESA-N 1 3 445.607 4.751 50 0 IJAAHO CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1)C1CCN(C)CC1 ZINC000012054402 556393431 /nfs/dbraw/zinc/39/34/31/556393431.db2.gz NLKZWFYVJIYNJT-QFIPXVFZSA-N 1 3 445.651 4.803 50 0 IJAAHO CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1)C1CCN(C)CC1 ZINC000012054402 556393434 /nfs/dbraw/zinc/39/34/34/556393434.db2.gz NLKZWFYVJIYNJT-QFIPXVFZSA-N 1 3 445.651 4.803 50 0 IJAAHO O=C(CCC1CC[NH+](Cc2c[nH]c3ccccc23)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000015064426 556491751 /nfs/dbraw/zinc/49/17/51/556491751.db2.gz OYKVHZMTYHYLAL-VWLOTQADSA-N 1 3 444.623 4.551 50 0 IJAAHO CC(=O)c1cccc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000020293522 557005981 /nfs/dbraw/zinc/00/59/81/557005981.db2.gz OVEGTUDLGMBOIS-VWLOTQADSA-N 1 3 425.661 4.832 50 0 IJAAHO CC(=O)c1cccc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000020293522 557005983 /nfs/dbraw/zinc/00/59/83/557005983.db2.gz OVEGTUDLGMBOIS-VWLOTQADSA-N 1 3 425.661 4.832 50 0 IJAAHO COCc1cc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000012448178 522920634 /nfs/dbraw/zinc/92/06/34/522920634.db2.gz MGZBZWNAJRCLKV-UHFFFAOYSA-N 1 3 437.628 4.893 50 0 IJAAHO COCC[N@H+](C/C=C/c1ccc(OC)cc1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012385232 523639040 /nfs/dbraw/zinc/63/90/40/523639040.db2.gz PNJPFKSKIDUWPD-VOTSOKGWSA-N 1 3 438.612 4.578 50 0 IJAAHO COCC[N@@H+](C/C=C/c1ccc(OC)cc1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012385232 523639049 /nfs/dbraw/zinc/63/90/49/523639049.db2.gz PNJPFKSKIDUWPD-VOTSOKGWSA-N 1 3 438.612 4.578 50 0 IJAAHO CN1CCC([C@]2(O)c3ccsc3SCc3cc(C4CC[NH+](C)CC4)ccc32)CC1 ZINC000096601942 556837409 /nfs/dbraw/zinc/83/74/09/556837409.db2.gz AXJJYFQPNHSSAQ-XMMPIXPASA-N 1 3 428.667 4.741 50 0 IJAAHO CC(=O)c1cccc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000020293526 557005863 /nfs/dbraw/zinc/00/58/63/557005863.db2.gz OVEGTUDLGMBOIS-RUZDIDTESA-N 1 3 425.661 4.832 50 0 IJAAHO CC(=O)c1cccc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000020293526 557005869 /nfs/dbraw/zinc/00/58/69/557005869.db2.gz OVEGTUDLGMBOIS-RUZDIDTESA-N 1 3 425.661 4.832 50 0 IJAAHO CC(=O)Nc1ccc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000020472146 519715784 /nfs/dbraw/zinc/71/57/84/519715784.db2.gz NODFZGJOKZYFKL-RUZDIDTESA-N 1 3 440.676 4.588 50 0 IJAAHO CC(=O)Nc1ccc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC000020472146 519715786 /nfs/dbraw/zinc/71/57/86/519715786.db2.gz NODFZGJOKZYFKL-RUZDIDTESA-N 1 3 440.676 4.588 50 0 IJAAHO COCC[N@@H+](Cc1[nH]c2ccccc2c1C)CC1CCN(Cc2ccccc2OC)CC1 ZINC000020541420 523735718 /nfs/dbraw/zinc/73/57/18/523735718.db2.gz LPYWMDHZRZQODR-UHFFFAOYSA-N 1 3 435.612 4.846 50 0 IJAAHO COCC[N@H+](Cc1[nH]c2ccccc2c1C)CC1CCN(Cc2ccccc2OC)CC1 ZINC000020541420 523735721 /nfs/dbraw/zinc/73/57/21/523735721.db2.gz LPYWMDHZRZQODR-UHFFFAOYSA-N 1 3 435.612 4.846 50 0 IJAAHO COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301929 523949191 /nfs/dbraw/zinc/94/91/91/523949191.db2.gz MOEVWGGROVNUOW-OAQYLSRUSA-N 1 3 436.575 4.611 50 0 IJAAHO COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301929 523949198 /nfs/dbraw/zinc/94/91/98/523949198.db2.gz MOEVWGGROVNUOW-OAQYLSRUSA-N 1 3 436.575 4.611 50 0 IJAAHO COc1ccc(C[N@H+](C)C[C@H]2CCCN(CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200587 524003674 /nfs/dbraw/zinc/00/36/74/524003674.db2.gz HMQFWKXMZNNIAV-RUZDIDTESA-N 1 3 446.639 4.635 50 0 IJAAHO COc1ccc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200587 524003679 /nfs/dbraw/zinc/00/36/79/524003679.db2.gz HMQFWKXMZNNIAV-RUZDIDTESA-N 1 3 446.639 4.635 50 0 IJAAHO COc1ccc(CN2CCC([C@@H](Cc3ccccc3)[N@H+](C)Cc3cccnc3)CC2)cc1O ZINC000012155500 524024908 /nfs/dbraw/zinc/02/49/08/524024908.db2.gz QUXKBBLLIDBBML-AREMUKBSSA-N 1 3 445.607 4.751 50 0 IJAAHO COc1ccc(CN2CCC([C@@H](Cc3ccccc3)[N@@H+](C)Cc3cccnc3)CC2)cc1O ZINC000012155500 524024910 /nfs/dbraw/zinc/02/49/10/524024910.db2.gz QUXKBBLLIDBBML-AREMUKBSSA-N 1 3 445.607 4.751 50 0 IJAAHO C[C@@H](CC[NH+]1CCC(c2nnc(SCCN3CCCCC3)n2C)CC1)c1ccccc1 ZINC000012281468 524482627 /nfs/dbraw/zinc/48/26/27/524482627.db2.gz RVRRPBZMKBVAOZ-NRFANRHFSA-N 1 3 441.689 4.766 50 0 IJAAHO CC(=O)c1cccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000012301923 518420938 /nfs/dbraw/zinc/42/09/38/518420938.db2.gz JLLGEFYVSXXRKY-GDLZYMKVSA-N 1 3 446.635 4.750 50 0 IJAAHO CCOc1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000012431141 520697604 /nfs/dbraw/zinc/69/76/04/520697604.db2.gz QCWWUZSLXVMEJG-XMMPIXPASA-N 1 3 430.633 4.730 50 0 IJAAHO CCOCc1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000015078514 556500195 /nfs/dbraw/zinc/50/01/95/556500195.db2.gz ZKHALQUKJLZQRJ-AREMUKBSSA-N 1 3 444.660 4.867 50 0 IJAAHO CCOc1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000012431140 520697035 /nfs/dbraw/zinc/69/70/35/520697035.db2.gz QCWWUZSLXVMEJG-DEOSSOPVSA-N 1 3 430.633 4.730 50 0 IJAAHO CCN1CC2=C(O[C@]3(O)CC[N@@H+](CC)C[C@H]3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000020028433 556967697 /nfs/dbraw/zinc/96/76/97/556967697.db2.gz PYWLMPHRWUDRKH-AVXLBDNFSA-N 1 3 430.592 4.504 50 0 IJAAHO CCN1CC2=C(O[C@]3(O)CC[N@H+](CC)C[C@H]3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000020028433 556967699 /nfs/dbraw/zinc/96/76/99/556967699.db2.gz PYWLMPHRWUDRKH-AVXLBDNFSA-N 1 3 430.592 4.504 50 0 IJAAHO O=C(CCC1CC[NH+](C/C=C/c2ccccc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012583943 526408456 /nfs/dbraw/zinc/40/84/56/526408456.db2.gz VMLPPBXRIXPTSZ-VYTBZZOSSA-N 1 3 431.624 4.583 50 0 IJAAHO COc1ccc(CNCc2cccc(Cl)c2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011879275 556371655 /nfs/dbraw/zinc/37/16/55/556371655.db2.gz WYYGNJXRTAGVRD-HSZRJFAPSA-N 1 3 447.019 4.644 50 0 IJAAHO CCN1CC2=C(O[C@]3(O)CC[N@@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C\c2ccccc2)C1 ZINC000230138951 569439233 /nfs/dbraw/zinc/43/92/33/569439233.db2.gz PYWLMPHRWUDRKH-NESAKCKISA-N 1 3 430.592 4.504 50 0 IJAAHO CCN1CC2=C(O[C@]3(O)CC[N@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C\c2ccccc2)C1 ZINC000230138951 569439234 /nfs/dbraw/zinc/43/92/34/569439234.db2.gz PYWLMPHRWUDRKH-NESAKCKISA-N 1 3 430.592 4.504 50 0 IJAAHO COc1ccc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200580 524003877 /nfs/dbraw/zinc/00/38/77/524003877.db2.gz HMQFWKXMZNNIAV-VWLOTQADSA-N 1 3 446.639 4.635 50 0 IJAAHO COc1ccc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200580 524003882 /nfs/dbraw/zinc/00/38/82/524003882.db2.gz HMQFWKXMZNNIAV-VWLOTQADSA-N 1 3 446.639 4.635 50 0 IJAAHO COc1ccc(C[N@H+](CC(C)C)CC2CCN(Cc3ccccc3OC)CC2)cc1O ZINC000012073641 556396517 /nfs/dbraw/zinc/39/65/17/556396517.db2.gz PYYLSEMCPWPASB-UHFFFAOYSA-N 1 3 426.601 4.780 50 0 IJAAHO COc1ccc(C[N@@H+](CC(C)C)CC2CCN(Cc3ccccc3OC)CC2)cc1O ZINC000012073641 556396518 /nfs/dbraw/zinc/39/65/18/556396518.db2.gz PYYLSEMCPWPASB-UHFFFAOYSA-N 1 3 426.601 4.780 50 0 IJAAHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)CC1 ZINC000012073254 556396555 /nfs/dbraw/zinc/39/65/55/556396555.db2.gz ZNOARGBCJUXHQM-UHFFFAOYSA-N 1 3 425.548 4.753 50 0 IJAAHO CCOCc1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000015078512 556500210 /nfs/dbraw/zinc/50/02/10/556500210.db2.gz ZKHALQUKJLZQRJ-SANMLTNESA-N 1 3 444.660 4.867 50 0 IJAAHO CCN1CC2=C(O[C@@]3(O)CC[N@@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C\c2ccccc2)C1 ZINC000252624950 569203077 /nfs/dbraw/zinc/20/30/77/569203077.db2.gz PYWLMPHRWUDRKH-LLRLVMATSA-N 1 3 430.592 4.504 50 0 IJAAHO CCN1CC2=C(O[C@@]3(O)CC[N@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C\c2ccccc2)C1 ZINC000252624950 569203078 /nfs/dbraw/zinc/20/30/78/569203078.db2.gz PYWLMPHRWUDRKH-LLRLVMATSA-N 1 3 430.592 4.504 50 0 IJAAHO CCN(Cc1ccc(OC)c(COC)c1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012709433 521322704 /nfs/dbraw/zinc/32/27/04/521322704.db2.gz WELNWGIANNSANM-HSZRJFAPSA-N 1 3 428.592 4.757 50 0 IJAAHO CCN(Cc1ccc(OC)c(COC)c1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012709433 521322710 /nfs/dbraw/zinc/32/27/10/521322710.db2.gz WELNWGIANNSANM-HSZRJFAPSA-N 1 3 428.592 4.757 50 0 IJAAHO CCC[NH+]1CCC(N2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)CC1 ZINC000011933696 556377211 /nfs/dbraw/zinc/37/72/11/556377211.db2.gz CMGGAJCRTYIQHR-HSZRJFAPSA-N 1 3 435.612 4.887 50 0 IJAAHO Cc1ccc(-c2ccccc2C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)o1 ZINC000011662756 557236889 /nfs/dbraw/zinc/23/68/89/557236889.db2.gz NDUMTRCQFDTDAN-JOCHJYFZSA-N 1 3 437.628 4.800 50 0 IJAAHO Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)o1 ZINC000011662756 557236890 /nfs/dbraw/zinc/23/68/90/557236890.db2.gz NDUMTRCQFDTDAN-JOCHJYFZSA-N 1 3 437.628 4.800 50 0 IJAAHO O=C(CCC1CC[NH+](C/C=C/c2ccccc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012583936 526408754 /nfs/dbraw/zinc/40/87/54/526408754.db2.gz VMLPPBXRIXPTSZ-LDOPOZNOSA-N 1 3 431.624 4.583 50 0 IJAAHO CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1)C1CCN(C)CC1 ZINC000012054405 556393575 /nfs/dbraw/zinc/39/35/75/556393575.db2.gz NLKZWFYVJIYNJT-JOCHJYFZSA-N 1 3 445.651 4.803 50 0 IJAAHO CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1)C1CCN(C)CC1 ZINC000012054405 556393578 /nfs/dbraw/zinc/39/35/78/556393578.db2.gz NLKZWFYVJIYNJT-JOCHJYFZSA-N 1 3 445.651 4.803 50 0 IJAAHO c1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2nccs2)c1 ZINC000014948995 556460183 /nfs/dbraw/zinc/46/01/83/556460183.db2.gz PHRXMICIUOPZTR-HSZRJFAPSA-N 1 3 428.646 4.569 50 0 IJAAHO CCCn1ncc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1C ZINC000020513378 521672365 /nfs/dbraw/zinc/67/23/65/521672365.db2.gz LDVSCPRIYRVWGN-DEOSSOPVSA-N 1 3 429.697 4.544 50 0 IJAAHO CCCn1ncc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1C ZINC000020513378 521672367 /nfs/dbraw/zinc/67/23/67/521672367.db2.gz LDVSCPRIYRVWGN-DEOSSOPVSA-N 1 3 429.697 4.544 50 0 IJAAHO CN1CC[C@@]2(CC[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1 ZINC000012710363 523976290 /nfs/dbraw/zinc/97/62/90/523976290.db2.gz SUOIAZFVHYNZNZ-HHHXNRCGSA-N 1 3 426.564 4.872 50 0 IJAAHO CN1CC[C@@]2(CC[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1 ZINC000012710363 523976296 /nfs/dbraw/zinc/97/62/96/523976296.db2.gz SUOIAZFVHYNZNZ-HHHXNRCGSA-N 1 3 426.564 4.872 50 0 IJAAHO Cn1c2ccccc2nc1CN(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000020600967 527115722 /nfs/dbraw/zinc/11/57/22/527115722.db2.gz RRQXEYZLLSAJMS-QHCPKHFHSA-N 1 3 437.676 4.516 50 0 IJAAHO Cn1c2ccccc2nc1CN(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000020600967 527115727 /nfs/dbraw/zinc/11/57/27/527115727.db2.gz RRQXEYZLLSAJMS-QHCPKHFHSA-N 1 3 437.676 4.516 50 0 IJAAHO CN(Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1)Cc1ccnc2ccccc12 ZINC000055153667 556736377 /nfs/dbraw/zinc/73/63/77/556736377.db2.gz LCVAOUWFCHMFHF-VWLOTQADSA-N 1 3 447.623 4.871 50 0 IJAAHO CN(Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1)Cc1ccnc2ccccc12 ZINC000055153667 556736378 /nfs/dbraw/zinc/73/63/78/556736378.db2.gz LCVAOUWFCHMFHF-VWLOTQADSA-N 1 3 447.623 4.871 50 0 IJAAHO Cc1ccccc1-c1ncc(CN(C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000055199866 556737640 /nfs/dbraw/zinc/73/76/40/556737640.db2.gz QUPBVSFLJCQOEY-UHFFFAOYSA-N 1 3 432.587 4.978 50 0 IJAAHO CCN1CC2=C(O[C@@]3(O)CC[N@@H+](CC)C[C@H]3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000020028434 556967610 /nfs/dbraw/zinc/96/76/10/556967610.db2.gz PYWLMPHRWUDRKH-QQAMGDFDSA-N 1 3 430.592 4.504 50 0 IJAAHO CCN1CC2=C(O[C@@]3(O)CC[N@H+](CC)C[C@H]3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000020028434 556967612 /nfs/dbraw/zinc/96/76/12/556967612.db2.gz PYWLMPHRWUDRKH-QQAMGDFDSA-N 1 3 430.592 4.504 50 0 IJAAHO CCN1CC2=C(O[C@]3(O)CC[N@@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000229999495 557835085 /nfs/dbraw/zinc/83/50/85/557835085.db2.gz PYWLMPHRWUDRKH-BNQDLGRVSA-N 1 3 430.592 4.504 50 0 IJAAHO CCN1CC2=C(O[C@]3(O)CC[N@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000229999495 557835088 /nfs/dbraw/zinc/83/50/88/557835088.db2.gz PYWLMPHRWUDRKH-BNQDLGRVSA-N 1 3 430.592 4.504 50 0 IJAAHO COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301927 523948683 /nfs/dbraw/zinc/94/86/83/523948683.db2.gz MOEVWGGROVNUOW-NRFANRHFSA-N 1 3 436.575 4.611 50 0 IJAAHO COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301927 523948690 /nfs/dbraw/zinc/94/86/90/523948690.db2.gz MOEVWGGROVNUOW-NRFANRHFSA-N 1 3 436.575 4.611 50 0 IJAAHO COc1cccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000012577228 525923579 /nfs/dbraw/zinc/92/35/79/525923579.db2.gz XNAAHOXFBDSHRM-NDEPHWFRSA-N 1 3 434.624 4.556 50 0 IJAAHO O=C(CCC1CC[NH+](Cc2cc3ccccc3o2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000011813536 556356881 /nfs/dbraw/zinc/35/68/81/556356881.db2.gz WPKDDBGLLIRLCS-VWLOTQADSA-N 1 3 445.607 4.816 50 0 IJAAHO Fc1ccc(-n2cc(CN(C[C@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)cn2)cc1 ZINC000012710254 526320051 /nfs/dbraw/zinc/32/00/51/526320051.db2.gz QPTGQLRKAKLCFF-AREMUKBSSA-N 1 3 440.607 4.647 50 0 IJAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)Cc2ccc3nonc3c2)CC1 ZINC000055119066 556735259 /nfs/dbraw/zinc/73/52/59/556735259.db2.gz VOHRDDXIQJYDEQ-UHFFFAOYSA-N 1 3 441.579 4.841 50 0 IJAAHO CCOc1ccc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)cc1CO ZINC000012747425 520962593 /nfs/dbraw/zinc/96/25/93/520962593.db2.gz VMEDEOJSWKIIMZ-QFIPXVFZSA-N 1 3 431.020 4.618 50 0 IJAAHO CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)cc1CO ZINC000012747425 520962596 /nfs/dbraw/zinc/96/25/96/520962596.db2.gz VMEDEOJSWKIIMZ-QFIPXVFZSA-N 1 3 431.020 4.618 50 0 IJAAHO CCCn1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)c(C)n1 ZINC000012710487 521649591 /nfs/dbraw/zinc/64/95/91/521649591.db2.gz BOZTYSDTRWVXGT-MHZLTWQESA-N 1 3 438.660 4.803 50 0 IJAAHO 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